3PUM

Crystal structure of P domain dimer of Norovirus VA207

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	93.889, 96.241, 66.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.096 - 2.252
R-factor	0.2256
Rwork	0.225
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2obt
RMSD bond length	0.009
RMSD bond angle	1.451
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.067	0.031	0.296
Number of reflections	27339
<I/σ(I)>	15.7
Completeness [%]	93.5	85.8	96
Redundancy	3.9	4.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	289	12% (w/v) PEG 3350, 50mM magnesium formate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 289K